N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide

C17H17BrN2O3 — CID 9315927

IUPACN-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C(/C)c2ccccc2Br)cc1
InChIInChI=1S/C17H17BrN2O3/c1-12(15-5-3-4-6-16(15)18)19-20-17(21)11-23-14-9-7-13(22-2)8-10-14/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-
InChIKeyUJDXIOGLDSEFBZ-UNOMPAQXSA-N
MW377.24 g/mol
LogP3.38
Rot. Bonds6

About N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide

N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide (PubChem CID 9315927) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
PubChem CID9315927
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C(/C)c2ccccc2Br)cc1
InChIInChI=1S/C17H17BrN2O3/c1-12(15-5-3-4-6-16(15)18)19-20-17(21)11-23-14-9-7-13(22-2)8-10-14/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-
InChIKeyUJDXIOGLDSEFBZ-UNOMPAQXSA-N
XLogP3.38
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914091
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 136690202
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6176429
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
2-(4-tert-butylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 921053
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4258714
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide (CID 9315927) is N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)N/N=C(/C)c2ccccc2Br)cc1.
What is the InChIKey of N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is UJDXIOGLDSEFBZ-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-12(15-5-3-4-6-16(15)18)19-20-17(21)11-23-14-9-7-13(22-2)8-10-14/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide?
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 377.24 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 9315927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).